| SpectraBase Compound ID | GApGU0ZO5QE |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-3-12-20-16(18)10-5-6-11-17(19)21-15-9-7-8-14(4-2)13-15/h7-9,13H,3-6,10-12H2,1-2H3 |
| InChIKey | AWODLNSZSHGYHU-UHFFFAOYSA-N |
| Mol Weight | 292.38 g/mol |
| Molecular Formula | C17H24O4 |
| Exact Mass | 292.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5hDQdT3uq63 |
|---|---|
| Name | Adipic acid, 3-ethylphenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.167459249 u |
| Formula | C17H24O4 |
| InChI | InChI=1S/C17H24O4/c1-3-12-20-16(18)10-5-6-11-17(19)21-15-9-7-8-14(4-2)13-15/h7-9,13H,3-6,10-12H2,1-2H3 |
| InChIKey | AWODLNSZSHGYHU-UHFFFAOYSA-N |
| SMILES | C(CCC(OC1=CC=CC(CC)=C1)=O)CC(OCCC)=O |